CID 370163

Nsc642905

Structural Information

Molecular Formula
C12H10O4
SMILES
CC1=CC2=C(C=C1)OC(=O)C=C2CC(=O)O
InChI
InChI=1S/C12H10O4/c1-7-2-3-10-9(4-7)8(5-11(13)14)6-12(15)16-10/h2-4,6H,5H2,1H3,(H,13,14)
InChIKey
DAOGIXQKZLJBBB-UHFFFAOYSA-N
Compound name
2-(6-methyl-2-oxochromen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 142.0
[M+Na]+ 241.04712 152.1
[M-H]- 217.05062 146.9
[M+NH4]+ 236.09172 160.1
[M+K]+ 257.02106 150.5
[M+H-H2O]+ 201.05516 136.3
[M+HCOO]- 263.05610 163.3
[M+CH3COO]- 277.07175 186.4
[M+Na-2H]- 239.03257 149.2
[M]+ 218.05735 145.6
[M]- 218.05845 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.